Information card for entry 2227563

Structure parameters

• Chemical name: 3-(4-Methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: O1C2(OC(=O)C(=C\c3ccc(OC)cc3)/C1=O)CCCCC2
• Title of publication: 3-(4-Methoxybenzylidene)-1,5-dioxaspiro[5.5]undecane-2,4-dione
• Authors of publication: Zeng, Wu-Lan; Suo, Jin-Long; Jian, Fang-fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2837
• a: 15.723 ± 0.003 Å
• b: 10.531 ± 0.002 Å
• c: 9.2029 ± 0.0018 Å
• α: 90°
• β: 90 ± 0.03°
• γ: 90°
• Cell volume: 1523.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes